#cubane Oh
 1 1 1 90 90 90
1 1 .1 .1
C1     1  0.77100  0.77100  0.77100
C2     1  0.77000  0.77000 -0.77000
C3     1  0.77000 -0.77000  0.77000
C4     1  0.77000 -0.77000 -0.77000
C5     1 -0.77000  0.77000  0.77000
C6     1 -0.77000  0.77000 -0.77000
C7     1 -0.77000 -0.77000  0.77000
C8     1 -0.77100 -0.77100 -0.77100